Geometry & MOs

Info

ID:	88307
PubChem CID:	49902870
Reduced:	INSCl2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	654.82863
ΔH_f, kcal/mol:	-102.07
Dipole, Da:	3.75
IP(EA), eV:	-9.46(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)I)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations